CID 71315202

57898-71-2

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCC(=O)C1=C(C=CC(=C1)NC(=O)CCC)OCC(CNC(C)C)O
InChI
InChI=1S/C20H32N2O4/c1-5-7-18(24)17-11-15(22-20(25)8-6-2)9-10-19(17)26-13-16(23)12-21-14(3)4/h9-11,14,16,21,23H,5-8,12-13H2,1-4H3,(H,22,25)
InChIKey
AEDUKXINWRSRLC-UHFFFAOYSA-N
Compound name
N-[3-butanoyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 192.9
[M+Na]+ 387.22542 194.4
[M-H]- 363.22892 193.8
[M+NH4]+ 382.27002 203.9
[M+K]+ 403.19936 192.4
[M+H-H2O]+ 347.23346 184.7
[M+HCOO]- 409.23440 211.5
[M+CH3COO]- 423.25005 223.7
[M+Na-2H]- 385.21087 189.1
[M]+ 364.23565 195.8
[M]- 364.23675 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.